Dansylamino-PITC [Fluorescent Coupling Reagent for Edman Degradation] - ≥98%(HPLC)(N) , CAS No.102417-94-7

CAS: 102417-94-7 Cat. No.: D154722 Molecular Weight: 383.48 EC Number: 683-077-9

GRADE & PURITY ≥98%(HPLC)(N)

Synonyms

DNSAPITC | AS-72783 | Dnsapitc | SCHEMBL4343355 | CEA41794 | 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate | AKOS015894724 | D88573 | MZGXHCHKGRQLHR-UHFFFAOYSA- | MFCD00077739 | Dansylamino-PITC [Fluorescent Coupling Reagent for Ed

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DNSAPITC | AS-72783 | Dnsapitc | SCHEMBL4343355 | CEA41794 | 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate | AKOS015894724 | D88573 | MZGXHCHKGRQLHR-UHFFFAOYSA- | MFCD00077739 | Dansylamino-PITC [Fluorescent Coupling Reagent for Ed

Specifications & Purity

≥98%(HPLC)(N)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)(N)

Names and Identifiers

• Pubchem Sid: 504756987
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756987
• Canonical Smiles: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3=CC=C(C=C3)N=C=S
• IUPAC Name: 5-(dimethylamino)-N-(4-isothiocyanatophenyl)naphthalene-1-sulfonamide
• InChIKey: MZGXHCHKGRQLHR-UHFFFAOYSA-N
• INCHI: 1S/C19H17N3O2S2/c1-22(2)18-7-3-6-17-16(18)5-4-8-19(17)26(23,24)21-15-11-9-14(10-12-15)20-13-25/h3-12,21H,1-2H3
• Isomeric SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3=CC=C(C=C3)N=C=S
• Molecular Weight: 383.48
• Reaxy-Rn: 9075712
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9075712&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-naphthalene sulfonic acids and derivatives
• Alternative Parents: 1-naphthalene sulfonamides Sulfanilides Dialkylarylamines Organosulfonamides Aminosulfonyl compounds Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Sulfanilide - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Isothiocyanate - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Melt Point(°C): 129 °C
• Molecular Weight: 383.500 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 383.076 Da
• Monoisotopic Mass: 383.076 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 617.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1